9LB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| N2' | C2' | sing | 1.47Å | 1.48Å | |
| C2' | C1' | sing | 1.53Å | 1.54Å | |
| O6' | C6' | sing | 1.43Å | 1.43Å | |
| C5' | C6' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | C1 | sing | 1.51Å | 1.48Å | |
| N2 | C1 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.38Å | Aromatic |
| C1 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| O6' | H1 | sing | 0.97Å | 0.95Å | |
| C6' | H2 | sing | 1.09Å | 1.10Å | |
| C6' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| O4' | H6 | sing | 0.97Å | 0.95Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| N2' | H11 | sing | 1.01Å | 1.00Å | |
| N2' | H12 | sing | 1.01Å | 1.00Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C4' | 107.1° | 109.5° |
| O3' | C3' | C2' | 113.0° | 109.6° |
| O3' | C3' | H7 | 109.4° | 109.6° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| O4' | C4' | C3' | 107.9° | 109.5° |
| O4' | C4' | C5' | 110.6° | 109.5° |
| O4' | C4' | H5 | 109.5° | 109.5° |
| C4' | O4' | H6 | 109.5° | 113.9° |
| C4' | C3' | C2' | 111.0° | 109.1° |
| C3' | C4' | C5' | 112.5° | 109.2° |
| C3' | C4' | H5 | 108.3° | 109.5° |
| C4' | C3' | H7 | 108.2° | 109.5° |
| C3' | C2' | N2' | 112.1° | 109.6° |
| C3' | C2' | C1' | 110.2° | 109.1° |
| C2' | C3' | H7 | 108.1° | 109.6° |
| C3' | C2' | H10 | 108.0° | 109.5° |
| C4' | C5' | C6' | 112.4° | 109.5° |
| C4' | C5' | O5' | 110.4° | 109.4° |
| C4' | C5' | H4 | 107.9° | 109.5° |
| C5' | C4' | H5 | 108.1° | 109.5° |
| N2' | C2' | C1' | 109.8° | 109.5° |
| N2' | C2' | H10 | 108.6° | 109.6° |
| C2' | N2' | H11 | 109.5° | 111.0° |
| C2' | N2' | H12 | 109.5° | 110.9° |
| C2' | C1' | O5' | 109.2° | 109.4° |
| C2' | C1' | C1 | 111.3° | 109.4° |
| C2' | C1' | H9 | 108.4° | 109.5° |
| C1' | C2' | H10 | 108.0° | 109.5° |
| O6' | C6' | C5' | 111.8° | 109.5° |
| C6' | O6' | H1 | 109.5° | 114.0° |
| O6' | C6' | H2 | 108.9° | 109.4° |
| O6' | C6' | H3 | 108.9° | 109.5° |
| C6' | C5' | O5' | 108.8° | 109.5° |
| C5' | C6' | H2 | 108.9° | 109.5° |
| C5' | C6' | H3 | 108.9° | 109.5° |
| C6' | C5' | H4 | 108.0° | 109.5° |
| C5' | O5' | C1' | 112.6° | 114.1° |
| O5' | C5' | H4 | 109.2° | 109.4° |
| O5' | C1' | C1 | 108.8° | 109.5° |
| O5' | C1' | H9 | 109.9° | 109.5° |
| C1' | C1 | N2 | 126.1° | 126.3° |
| C1' | C1 | N5 | 127.6° | 126.3° |
| C1 | C1' | H9 | 109.2° | 109.5° |
| C1 | N2 | N3 | 111.1° | 110.1° |
| N2 | C1 | N5 | 106.2° | 107.4° |
| N2 | N3 | C4 | 105.1° | 109.7° |
| C1 | N5 | C4 | 109.1° | 105.8° |
| C1 | N5 | H13 | 125.4° | 127.1° |
| N3 | C4 | N5 | 108.6° | 107.0° |
| N3 | C4 | C6 | 125.1° | 126.5° |
| N5 | C4 | C6 | 126.3° | 126.5° |
| C4 | N5 | H13 | 125.5° | 127.1° |
| C4 | C6 | C7 | 119.9° | 120.1° |
| C4 | C6 | C11 | 120.7° | 120.2° |
| C7 | C6 | C11 | 119.4° | 119.7° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C6 | C7 | H15 | 120.1° | 120.1° |
| C6 | C11 | C10 | 120.4° | 119.9° |
| C6 | C11 | H19 | 119.8° | 120.1° |
| C7 | C8 | C9 | 120.7° | 120.1° |
| C8 | C7 | H15 | 120.0° | 120.0° |
| C7 | C8 | H16 | 119.6° | 119.9° |
| C11 | C10 | C9 | 120.1° | 120.1° |
| C11 | C10 | H18 | 120.0° | 120.0° |
| C10 | C11 | H19 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.3° |
| C9 | C8 | H16 | 119.7° | 120.0° |
| C8 | C9 | H17 | 120.2° | 119.8° |
| C10 | C9 | H17 | 120.3° | 119.9° |
| C9 | C10 | H18 | 119.9° | 119.9° |
| H2 | C6' | H3 | 109.5° | 109.5° |
| H11 | N2' | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C4' | O4' | 66.9° | 63.2° |
| O3' | C3' | C4' | C2' | 123.7° | 119.9° |
| O3' | C3' | C4' | H7 | 117.8° | 120.2° |
| O3' | C3' | C2' | H7 | 121.2° | 120.3° |
| O3' | C3' | C4' | C5' | 170.8° | 176.9° |
| O3' | C3' | C2' | N2' | 66.9° | 63.2° |
| O3' | C3' | C2' | C1' | 170.5° | 176.8° |
| O3' | C3' | C4' | H5 | 51.5° | 56.9° |
| O3' | C3' | C2' | H10 | 52.8° | 56.9° |
| O4' | C4' | C3' | C5' | 122.2° | 119.9° |
| O4' | C4' | C3' | H5 | 118.4° | 120.1° |
| O4' | C4' | C3' | C2' | 169.3° | 176.9° |
| O4' | C4' | C5' | H5 | 119.8° | 120.1° |
| O4' | C4' | C5' | C6' | 66.3° | 62.5° |
| O4' | C4' | C5' | O5' | 172.0° | 177.5° |
| O4' | C4' | C5' | H4 | 52.7° | 57.6° |
| O4' | C4' | C3' | H7 | 50.9° | 57.0° |
| C4' | C3' | C2' | H7 | 118.5° | 119.9° |
| C3' | C4' | C5' | H5 | 119.5° | 120.0° |
| C4' | C3' | C2' | N2' | 172.8° | 176.9° |
| C4' | C3' | C2' | C1' | 50.2° | 57.0° |
| C3' | C4' | C5' | C6' | 173.1° | 177.6° |
| C3' | C4' | C5' | O5' | 51.4° | 57.6° |
| C3' | C4' | C5' | H4 | 68.0° | 62.3° |
| C3' | C4' | O4' | H6 | 180.0° | 179.7° |
| C4' | C3' | O3' | H8 | 180.0° | 60.0° |
| C4' | C3' | C2' | H10 | 67.5° | 62.9° |
| C2' | C3' | C4' | C5' | 47.1° | 57.0° |
| C3' | C2' | N2' | C1' | 122.9° | 119.7° |
| C3' | C2' | N2' | H10 | 119.3° | 120.2° |
| C3' | C2' | C1' | H10 | 117.7° | 119.9° |
| C3' | C2' | C1' | O5' | 58.3° | 57.6° |
| C3' | C2' | C1' | C1 | 178.4° | 177.6° |
| C2' | C3' | C4' | H5 | 72.3° | 63.0° |
| C2' | C3' | O3' | H8 | 57.5° | 179.6° |
| C3' | C2' | C1' | H9 | 61.5° | 62.4° |
| C3' | C2' | N2' | H11 | 180.0° | 60.0° |
| C3' | C2' | N2' | H12 | 60.0° | 63.9° |
| C4' | C5' | C6' | O6' | 51.8° | 175.1° |
| C4' | C5' | C6' | O5' | 122.6° | 119.9° |
| C4' | C5' | C6' | H4 | 118.9° | 120.0° |
| C4' | C5' | O5' | H4 | 118.5° | 119.9° |
| C4' | C5' | O5' | C1' | 61.2° | 61.2° |
| C4' | C5' | C6' | H2 | 68.5° | 65.0° |
| C4' | C5' | C6' | H3 | 172.1° | 55.1° |
| C5' | C4' | O4' | H6 | 56.6° | 60.0° |
| C5' | C4' | C3' | H7 | 71.3° | 62.9° |
| N2' | C2' | C1' | H10 | 118.3° | 120.2° |
| N2' | C2' | C1' | O5' | 177.7° | 177.5° |
| N2' | C2' | C1' | C1 | 57.6° | 62.5° |
| N2' | C2' | C3' | H7 | 54.3° | 57.0° |
| N2' | C2' | C1' | H9 | 62.5° | 57.5° |
| C2' | N2' | H11 | H12 | 120.0° | 123.9° |
| C2' | C1' | O5' | C5' | 65.1° | 61.2° |
| C2' | C1' | O5' | C1 | 121.7° | 119.9° |
| C2' | C1' | O5' | H9 | 118.9° | 120.0° |
| C2' | C1' | C1 | H9 | 119.6° | 120.0° |
| C2' | C1' | C1 | N2 | 37.5° | 54.7° |
| C2' | C1' | C1 | N5 | 142.4° | 125.1° |
| C1' | C2' | C3' | H7 | 68.3° | 62.9° |
| C1' | C2' | N2' | H11 | 57.1° | 179.6° |
| C1' | C2' | N2' | H12 | 177.1° | 55.7° |
| O6' | C6' | C5' | H2 | 120.3° | 119.9° |
| O6' | C6' | C5' | H3 | 120.3° | 120.0° |
| O6' | C6' | C5' | O5' | 70.8° | 65.0° |
| O6' | C6' | H2 | H3 | 118.9° | 120.0° |
| O6' | C6' | C5' | H4 | 170.7° | 55.1° |
| C6' | C5' | O5' | H4 | 117.7° | 120.1° |
| C6' | C5' | O5' | C1' | 175.0° | 178.8° |
| C5' | C6' | O6' | H1 | 180.0° | 180.0° |
| C5' | C6' | H2 | H3 | 118.9° | 120.1° |
| C6' | C5' | C4' | H5 | 53.6° | 57.7° |
| C5' | O5' | C1' | C1 | 173.2° | 178.9° |
| O5' | C5' | C6' | H2 | 168.9° | 55.0° |
| O5' | C5' | C6' | H3 | 49.5° | 175.0° |
| O5' | C5' | C4' | H5 | 68.1° | 62.4° |
| C5' | O5' | C1' | H9 | 53.7° | 58.8° |
| O5' | C1' | C1 | H9 | 119.9° | 120.1° |
| O5' | C1' | C1 | N2 | 83.0° | 65.2° |
| O5' | C1' | C1 | N5 | 97.2° | 115.0° |
| C1' | O5' | C5' | H4 | 57.3° | 58.8° |
| O5' | C1' | C2' | H10 | 59.4° | 62.3° |
| C1' | C1 | N2 | N5 | 179.9° | 179.8° |
| C1' | C1 | N2 | N3 | 179.8° | 180.0° |
| C1' | C1 | N5 | C4 | 179.9° | 179.8° |
| C1 | C1' | C2' | H10 | 60.7° | 57.7° |
| C1' | C1 | N5 | H13 | 0.1° | 0.0° |
| C1 | N2 | N3 | C4 | 0.2° | 0.1° |
| N2 | C1 | N5 | C4 | 0.0° | 0.4° |
| N2 | C1 | C1' | H9 | 157.1° | 174.7° |
| N2 | C1 | N5 | H13 | 180.0° | 179.8° |
| N3 | N2 | C1 | N5 | 0.1° | 0.2° |
| N2 | N3 | C4 | N5 | 0.2° | 0.3° |
| N2 | N3 | C4 | C6 | 179.8° | 180.0° |
| C1 | N5 | C4 | N3 | 0.1° | 0.5° |
| C1 | N5 | C4 | H13 | 180.0° | 179.8° |
| C1 | N5 | C4 | C6 | 179.9° | 179.9° |
| N5 | C1 | C1' | H9 | 22.8° | 5.0° |
| N3 | C4 | N5 | C6 | 180.0° | 179.6° |
| N3 | C4 | C6 | C7 | 5.0° | 0.1° |
| N3 | C4 | C6 | C11 | 174.9° | 179.7° |
| N3 | C4 | N5 | H13 | 179.9° | 179.7° |
| N5 | C4 | C6 | C7 | 175.0° | 179.6° |
| N5 | C4 | C6 | C11 | 5.1° | 0.2° |
| C4 | C6 | C7 | C11 | 179.9° | 179.8° |
| C4 | C6 | C7 | C8 | 179.8° | 180.0° |
| C4 | C6 | C11 | C10 | 179.8° | 179.8° |
| C4 | C6 | C7 | H15 | 0.2° | 0.0° |
| C4 | C6 | C11 | H19 | 0.3° | 0.1° |
| C6 | C4 | N5 | H13 | 0.1° | 0.1° |
| C6 | C7 | C8 | H15 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.4° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | H16 | 179.8° | 180.0° |
| C7 | C6 | C11 | H19 | 179.6° | 179.7° |
| C11 | C6 | C7 | C8 | 0.3° | 0.2° |
| C6 | C11 | C10 | H19 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 0.3° | 0.4° |
| C11 | C6 | C7 | H15 | 179.7° | 179.8° |
| C6 | C11 | C10 | H18 | 179.7° | 179.8° |
| C7 | C8 | C9 | H16 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C7 | C8 | C9 | H17 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.2° |
| C11 | C10 | C9 | H18 | 180.0° | 179.8° |
| C11 | C10 | C9 | H17 | 179.7° | 179.8° |
| C8 | C9 | C10 | H17 | 180.0° | 179.9° |
| C9 | C8 | C7 | H15 | 179.8° | 180.0° |
| C8 | C9 | C10 | H18 | 179.7° | 180.0° |
| C10 | C9 | C8 | H16 | 179.8° | 180.0° |
| C9 | C10 | C11 | H19 | 179.6° | 179.7° |
| H1 | O6' | C6' | H2 | 59.6° | 60.0° |
| H1 | O6' | C6' | H3 | 59.7° | 59.9° |
| H2 | C6' | C5' | H4 | 50.4° | 175.0° |
| H3 | C6' | C5' | H4 | 69.0° | 65.0° |
| H4 | C5' | C4' | H5 | 172.6° | 177.7° |
| H5 | C4' | O4' | H6 | 62.4° | 60.1° |
| H5 | C4' | C3' | H7 | 169.3° | 177.2° |
| H7 | C3' | O3' | H8 | 63.0° | 60.2° |
| H7 | C3' | C2' | H10 | 173.9° | 177.2° |
| H9 | C1' | C2' | H10 | 179.2° | 177.7° |
| H10 | C2' | N2' | H11 | 60.8° | 60.2° |
| H10 | C2' | N2' | H12 | 59.3° | 175.9° |
| H15 | C7 | C8 | H16 | 0.2° | 0.0° |
| H16 | C8 | C9 | H17 | 0.2° | 0.0° |
| H17 | C9 | C10 | H18 | 0.3° | 0.1° |
| H18 | C10 | C11 | H19 | 0.4° | 0.1° |
